N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide

C16H14ClFN2O3S — CID 4085582

IUPACN-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClFN2O3S/c1-2-9-19-24(22,23)13-7-8-15(18)14(10-13)16(21)20-12-5-3-11(17)4-6-12/h2-8,10,19H,1,9H2,(H,20,21)
InChIKeyPAKGJDURVVQPNJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.20
Rot. Bonds6

About N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide

N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide (PubChem CID 4085582) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
PubChem CID4085582
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClFN2O3S/c1-2-9-19-24(22,23)13-7-8-15(18)14(10-13)16(21)20-12-5-3-11(17)4-6-12/h2-8,10,19H,1,9H2,(H,20,21)
InChIKeyPAKGJDURVVQPNJ-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
N-[4-(4-chloroanilino)-4-oxobutyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55862592
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide (CID 4085582) is N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is PAKGJDURVVQPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/c1-2-9-19-24(22,23)13-7-8-15(18)14(10-13)16(21)20-12-5-3-11(17)4-6-12/h2-8,10,19H,1,9H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide?
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 4085582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).